4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

C10H16F3N — CID 155484976

IUPAC4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13/h3,8H,4-7H2,1-2H3
InChIKeyWGCQTMNDWFNQOX-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.84
Rot. Bonds2

About 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 155484976) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID155484976
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13/h3,8H,4-7H2,1-2H3
InChIKeyWGCQTMNDWFNQOX-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
CID 71114234
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
3,5-Dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 134531065
1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 140596328
1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
CID 140996572

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 155484976) is 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WGCQTMNDWFNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13/h3,8H,4-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155484976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).